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(8S,9S,10R,13S,14S,17S)-3-Chloro-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
SpectraBase Compound ID 19t8VfW2WZR
InChI InChI=1S/C21H29ClO2/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,12,15-18H,5-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey POORVNMKPVLDLN-YFWFAHHUSA-N
Mol Weight 348.91 g/mol
Molecular Formula C21H29ClO2
Exact Mass 348.185608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qWeYmaF4UK
Name (8S,9S,10R,13S,14S,17S)-3-Chloro-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
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Formula C21H29ClO2
InChI InChI=1S/C21H29ClO2/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,12,15-18H,5-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey POORVNMKPVLDLN-YFWFAHHUSA-N
Molecular Weight 348.914 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(Cl)=C4)C)[H])(CC[C@@]1(C(=O)OC)[H])[H])C
SPLASH splash10-0002-1519000000-7dce724dccda44ce460c
Source of Spectrum G2-4-58-8
Synonyms Methyl 3-chloroandrost-3,5-diene-17.beta.-carboxylate Methyl (8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate Methyl (8S,9S,10R,13S,14S,17S)-3-chloranyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
Wiley ID 1710539